Sugi Predict

Sugi Predict / Compounds / SCHEMBL5800567

SCHEMBL5800567

SCHEMBL5800567

Cc1ccc(-c2ccnc3c(C(=O)c4cccs4)cnn23)cc1NC(=O)CC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDKN1A P38936 1/20 0.55
▸ GSK3A P49840 3/20 0.44
▸ EPHA2 P29317 1/20 0.44
▸ HPGD P15428 3/20 0.43
▸ TLR8 Q9NR97 1/20 0.42
▸ BRAF P15056 4/20 0.41
▸ POLB P06746 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ PIM1 P11309 3/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PIM3 Q86V86 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ THRB P10828 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ USP2 O75604 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ LIMK1 P53667 2/20 0.39
▸ CDK1 P06493 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5812681 0.91 CDKN1A (0.55) CDKN1AGSK3AEPHA2HPGDTLR8
SCHEMBL5812735 0.91 CDKN1A (0.55) CDKN1AGSK3AEPHA2TLR8BRAF
SCHEMBL5800399 0.90 CDKN1A (0.53) CDKN1AGSK3AHPGDTLR8BRAF
SCHEMBL5811737 0.88 CDKN1A (0.56) CDKN1AGSK3AEPHA2HPGDTLR8
SCHEMBL5798181 0.87 CDKN1A (0.55) CDKN1AGSK3AEPHA2HPGDTLR8
SCHEMBL5813951 0.85 CDKN1A (0.55) CDKN1AGSK3AEPHA2TLR8BRAF
SCHEMBL5800537 0.85 CDKN1A (0.57) CDKN1AGSK3AEPHA2HPGDTLR8
SCHEMBL5813181 0.84 CDKN1A (0.58) CDKN1AGSK3AEPHA2TLR8BRAF
SCHEMBL5810708 0.83 CDKN1A (0.52) CDKN1ATLR8BRAFPIM1KDM4E
SCHEMBL6072063 0.82 CDKN1A (0.64) CDKN1ATLR8BRAFPIM1MAPK13

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 — — WO claimed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 — — WO claimed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 — — US claimed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 — — US claimed
WO-2006033795-A2 SUBSTITUTED PYRAZOLO [1, 5-A] PYRIMIDINES FOR INHIBITING ABNORMAL CELL GROWTH WYETH (US) 2006-03-30 — — WO disclosed
WO-2006033796-A1 SUBSTITUTED PYRAZOLO [1,5-a] PYRIMIDINES AND PROCESS FOR MAKING SAME WYETH (US) 2006-03-30 — — WO disclosed
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines WYETH 2006-03-23 — — US disclosed
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same WYETH 2006-03-23 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060063785-A1 Substituted pyrazolo[1,5-a] pyrimidines and process for making same TYMP, DPYD, TYMS CDKN1A 28/4885GSK3A 3144/4885EPHA2 4266/4885
US-20060063784-A1 Method of using substituted pyrazolo [1,5-a] pyrimidines TYMP, DPYD, TYMS CDKN1A 89/4885GSK3A 2702/4885EPHA2 4496/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.